The application of different solvation and electrostatic models in molecular dynamics simulations of ubiquitin: How well is the X-ray structure 'maintained'?

Proteins: Structure, Function and Genetics

Volumn 25, Issue 3, 1996, Pages 315-334

  Fox, Thomas ^a   Kollman, Peter A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

aqueous solution; atomic fluctuation; cutoff; force field; order parameters; particle mesh Ewald; periodic box; root mean square deviation; shell

Indexed keywords

HYDROGEN; PROTEIN; UBIQUITIN; WATER;

ARTICLE; CRYSTAL STRUCTURE; ELECTRICITY; HYDROGEN BOND; MODEL; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN STRUCTURE; SIMULATION; SOLVATION; X RAY;

COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; ELECTROSTATICS; HYDROGEN BONDING; UBIQUITINS;

EID: 0030037332     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(199607)25:3<315::AID-PROT4>3.0.CO;2-E     Document Type: Article

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